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CHEBI:16660 - (S)-4-hydroxymandelonitrile

ChEBI IDCHEBI:16660
ChEBI Name(S)-4-hydroxymandelonitrile
Stars
ASCII Name(S)-4-hydroxymandelonitrile
DefinitionA 4-hydroxymandelonitrile that has (S)-configuration.
Secondary ChEBI IDsCHEBI:406, CHEBI:11053, CHEBI:18759, CHEBI:41985
Last Modified8 April 2015
DownloadsMolfile
FormulaC8H7NO2
Net Charge0
Average Mass149.149
Monoisotopic Mass149.04768
SMILESN#C[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1
InChIKeyHOOOPXDSCKBLFG-MRVPVSSYSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-4-hydroxymandelonitrile (CHEBI:16660) is a 4-hydroxymandelonitrile (CHEBI:18115)
IUPAC Name 
(2S)-hydroxy(4-hydroxyphenyl)acetonitrile
Synonym  Source
(S)-4-HydroxymandelonitrileKEGG COMPOUND
UniProt Name  Source
(S)-4-hydroxymandelonitrileUniProt
Manual XrefsDatabases
C03742KEGG COMPOUND
DHRPDBeChem
DB03430DrugBank
Registry NumbersSources
Reaxys:3589471Reaxys
CAS:13093-65-7ChemIDplus